SCHEMBL584838

SCHEMBL584838

C1=CCC2(C1)CCNCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.37
CYP2D6 P10635 8/20 0.35
ALDH1A1 P00352 7/20 0.35
USP2 O75604 7/20 0.35
HSD17B10 Q99714 5/20 0.35
HPGD P15428 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 6/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
OPRM1 P35372 2/20 0.33
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL314510 0.84 TSHR (0.32) TSHRCYP2D6ALDH1A1USP2HSD17B10
SCHEMBL14239097 0.82
SCHEMBL623024 0.81
SCHEMBL5419554 0.80 TSHR (0.31) TSHRALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL5565060 0.75
SCHEMBL28658 0.75 CYP2D6 (0.42) TSHRCYP2D6ALDH1A1USP2HSD17B10
SCHEMBL5426324 0.75 TSHR (0.32) TSHR
SCHEMBL5425697 0.75 ALDH1A1 (0.33) TSHRCYP2D6ALDH1A1HSD17B10HPGD
SCHEMBL11351132 0.72 CYP2D6 (0.41) TSHRCYP2D6ALDH1A1USP2HSD17B10
SCHEMBL20160644 0.72 CYP2D6 (0.41) TSHRCYP2D6ALDH1A1USP2HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
EP-3765462-B1 SUBSTITUTED (2-AZABICYCLO [3.1.0] HEXAN-2-YL) PYRAZOLO [1, 5-A] PYRIMIDINE AND IMIDAZO [1, 2-B] PYRIDAZINE COMPOUNDS AS TRK KINASES INHIBITORS FOCHON BIOSCIENCES LTD (CN) 2023-10-18 EP disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
EP-3452484-B1 CERTAIN PROTEIN KINASE INHIBITORS FOCHON PHARMACEUTICALS LTD (CN) 2023-07-05 EP disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
WO-2023088418-A1 COMPOUNDS AS SARS-COV-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 WO disclosed
US-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-11 US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
WO-2008005268-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2008-01-10 WO disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 US disclosed
EP-1846418-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081182-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230145305-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK TSHR 3305/4885CYP2D6 3767/4885ALDH1A1 4774/4885
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 TSHR 4670/4885CYP2D6 3670/4885ALDH1A1 1827/4885
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA TSHR 3763/4885CYP2D6 2994/4885ALDH1A1 1175/4885
US-20080139540-A1 6-[({3-hydroxy-8-[6-(methyloxy)-1,5-naphthyridin-4-yl]-8-azaspiro[4.5]dec-2-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]thiazin-3-on; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NT5C3B, NT5C, SPOUT1 TSHR 730/4885CYP2D6 794/4885ALDH1A1 3980/4885
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SLC10A1, NR1H4, FXR1 TSHR 1009/4885CYP2D6 392/4885ALDH1A1 3216/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 TSHR 4204/4885CYP2D6 2395/4885ALDH1A1 4322/4885
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS PIK3CA, AKT1, PIK3CB TSHR 4190/4885CYP2D6 3216/4885ALDH1A1 4698/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.